3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H12F4N2O2 — CID 17095750

IUPAC3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H12F4N2O2/c18-11-7-5-10(6-8-11)14-9-15(25-23-14)16(24)22-13-4-2-1-3-12(13)17(19,20)21/h1-8,15H,9H2,(H,22,24)
InChIKeyXFXAHKJFCSXZEI-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.98
Rot. Bonds3

About 3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095750) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095750
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC Name3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H12F4N2O2/c18-11-7-5-10(6-8-11)14-9-15(25-23-14)16(24)22-13-4-2-1-3-12(13)17(19,20)21/h1-8,15H,9H2,(H,22,24)
InChIKeyXFXAHKJFCSXZEI-UHFFFAOYSA-N
XLogP3.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095750) is 3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccccc1C(F)(F)F)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is XFXAHKJFCSXZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c18-11-7-5-10(6-8-11)14-9-15(25-23-14)16(24)22-13-4-2-1-3-12(13)17(19,20)21/h1-8,15H,9H2,(H,22,24).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 352.29 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).